(3-Ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-ylidene)propanedinitrile
Basic information
- CAS
52927-74-9- Standard SMILES
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1=C(C#N)C#N- InChIKey
QBYYWAACEVWMKS-UHFFFAOYSA-N- Molecular formula
- C20H23N3O2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.17902698
Names & identifiers
- Preferred name
- (3-Ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-ylidene)propanedinitrile
- IUPAC
- 2-(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-ylidene)propanedinitrile
Names & synonyms
52927-74-9(3-ethyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-ylidene)propanedinitrileEINECS 258-259-2DTXSID50967396QBYYWAACEVWMKS-UHFFFAOYSA-NNS00057169trans-(1)-(3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo(a)quinolizin-2-ylidene)malononitrile
Database identifiers
- CAS
52927-74-9- PubChem CID
- 103704
- DTXSID
DTXSID50967396- EC Number
- 258-259-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 607
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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